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56481-32-4 | 4-bromo-2-methyl-1H-imidazole-5-carbaldehyde
CAS No: 56481-32-4 Catalog No: AG01B7WP MDL No:MFCD26132526
Product Description
Catalog Number:
AG01B7WP
Chemical Name:
4-bromo-2-methyl-1H-imidazole-5-carbaldehyde
CAS Number:
56481-32-4
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
MDL Number:
MFCD26132526
IUPAC Name:
5-bromo-2-methyl-1H-imidazole-4-carbaldehyde
InChI:
InChI=1S/C5H5BrN2O/c1-3-7-4(2-9)5(6)8-3/h2H,1H3,(H,7,8)
InChI Key:
IFOPBULHZKLANX-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c(nc1Br)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.012g/mol
Monoisotopic Mass:
187.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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